CID 10909685

2s-hydroxy-2-isopropylbutano-3s-lactone

Structural Information

Molecular Formula
C7H12O3
SMILES
C[C@H]1[C@](C(=O)O1)(C(C)C)O
InChI
InChI=1S/C7H12O3/c1-4(2)7(9)5(3)10-6(7)8/h4-5,9H,1-3H3/t5-,7-/m0/s1
InChIKey
KHKLGIPKSSNKPU-FSPLSTOPSA-N
Compound name
(3S,4S)-3-hydroxy-4-methyl-3-propan-2-yloxetan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.07864 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 126.4
[M+Na]+ 167.06786 133.6
[M-H]- 143.07136 130.2
[M+NH4]+ 162.11246 141.9
[M+K]+ 183.04180 137.5
[M+H-H2O]+ 127.07590 118.6
[M+HCOO]- 189.07684 145.7
[M+CH3COO]- 203.09249 176.9
[M+Na-2H]- 165.05331 132.1
[M]+ 144.07809 136.6
[M]- 144.07919 136.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.